(6,8-Dichloro-2H-1-benzopyran-3-yl)(2-imino-1(2H)-pyridinyl)methanone

HCID 98558

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Basic information

CAS: 83823-28-3
Standard SMILES: N=c1ccccn1C(=O)C1=Cc2cc(Cl)cc(Cl)c2OC1
InChIKey: RVDYVUOTQGMQDA-UHFFFAOYSA-N
Molecular formula: C15H10Cl2N2O2
Average molar mass: 321.2 g/mol
Monoisotopic mass: 320.011933

Names & identifiers

Preferred name: (6,8-Dichloro-2H-1-benzopyran-3-yl)(2-imino-1(2H)-pyridinyl)methanone
IUPAC: (6,8-dichloro-2H-chromen-3-yl)-(2-imino-1-pyridinyl)methanone

Names & synonyms

83823-28-3NSC-1479275DNK3S62KC2(1H)-Pyridinimine, 1-((6,8-dichloro-2H-1-benzopyran-3-yl)carbonyl)-(6,8-Dichloro-2H-1-benzopyran-3-yl)(2-imino-1(2H)-pyridinyl)methanone2(1H)-Pyridinimine, 1-[(6,8-dichloro-2H-1-benzopyran-3-yl)carbonyl]-RefChem:10506451-((6,8-Dichloro-2H-1-benzopyran-3-yl)carbonyl)-2(1H)-pyridinimineNSC147927NSC 147927BRN 4515480DTXSID901384975

Show more names

Methanone, (6,8-dichloro-2H-1-benzopyran-3-yl)(2-imino-1(2H)-pyridinyl)-

Database identifiers

CAS: 83823-28-3
PubChem CID: 98558
DTXSID: DTXSID901384975
UNII: 5DNK3S62KC

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 53.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 21
Formal charge: 0
Complexity: 556

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